==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 31-OCT-03 1R9V . COMPND 2 MOLECULE: BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L- . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.NAVARRO,B.CELDA . 12 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 41.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 136 0, 0.0 2,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -2.3 29.6 15.5 8.5 2 2 A X - 0 0 167 2,-0.6 2,-2.2 6,-0.0 5,-0.1 -0.958 360.0 -25.9-144.9 119.1 29.8 18.8 10.6 3 3 A X E > >S+Ab 6 7A 132 3,-0.8 3,-2.0 -2,-0.3 5,-1.5 -0.554 130.0 73.8 72.0 -81.0 32.5 21.4 9.7 4 4 A X E 3 5S- b 0 8A 110 -2,-2.2 -2,-0.6 1,-0.3 5,-0.2 -0.479 122.8 -3.7 -64.3 119.4 34.6 18.6 8.2 5 5 A X T 3 5S+ 0 0 74 3,-2.6 -1,-0.3 -2,-0.3 4,-0.1 0.637 128.8 73.7 66.2 18.9 33.0 17.7 4.9 6 6 A X B < 5S-A 3 0A 78 -3,-2.0 -3,-0.8 2,-0.5 2,-0.3 -0.344 130.6 -23.4-149.3 53.1 30.1 20.1 5.6 7 7 A X E >S+bc 3 11A 120 3,-2.9 5,-2.5 1,-0.4 -3,-0.2 -0.775 130.3 68.9 135.5 -85.1 32.0 23.3 4.9 8 8 A X E 5S+ 0 0 130 -5,-0.2 3,-0.7 -4,-0.1 2,-0.1 -0.508 138.6 43.9 56.6-117.3 36.8 20.1 2.6 10 10 A X T 3 5S+ 0 0 114 -2,-0.4 -3,-2.9 1,-0.2 2,-0.3 -0.376 120.2 31.5 -62.3 132.1 33.4 19.0 1.1 11 11 A X B 3 5 c 7 0A 138 -5,-0.2 -1,-0.2 -6,-0.1 -3,-0.2 -0.627 360.0 360.0 112.0 -63.9 31.2 22.2 0.8 12 12 A X < < 0 0 193 -5,-2.5 -2,-0.2 -3,-0.7 -4,-0.1 0.922 360.0 360.0 -62.3 360.0 34.2 24.4 0.2